3-[cyclohexanecarbonyl(propyl)amino]propanoic acid

C13H23NO3 — CID 82324168

IUPAC3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO3/c1-2-9-14(10-8-12(15)16)13(17)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyPXIKIUBFELLQLE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds6

About 3-[cyclohexanecarbonyl(propyl)amino]propanoic acid

3-[cyclohexanecarbonyl(propyl)amino]propanoic acid (PubChem CID 82324168) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[cyclohexanecarbonyl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
PubChem CID82324168
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO3/c1-2-9-14(10-8-12(15)16)13(17)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyPXIKIUBFELLQLE-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide
CID 63393390
3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
CID 82323933
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581
N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide
CID 82103692
N-propyl-N-prop-2-ynylcycloheptanecarboxamide
CID 78917353
N-(cyanomethyl)-N-propylcyclooctanecarboxamide
CID 65018468
N-(cyanomethyl)-N-propylcyclohexanecarboxamide
CID 61226458
N-(cyanomethyl)-N-propylcycloheptanecarboxamide
CID 62586503
3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid
CID 82323958

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexanecarbonyl(propyl)amino]propanoic acid?
The IUPAC name of 3-[cyclohexanecarbonyl(propyl)amino]propanoic acid (CID 82324168) is 3-[cyclohexanecarbonyl(propyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclohexanecarbonyl(propyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclohexanecarbonyl(propyl)amino]propanoic acid is CCCN(CCC(=O)O)C(=O)C1CCCCC1.
What is the InChIKey of 3-[cyclohexanecarbonyl(propyl)amino]propanoic acid?
The InChIKey is PXIKIUBFELLQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-9-14(10-8-12(15)16)13(17)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 3-[cyclohexanecarbonyl(propyl)amino]propanoic acid?
3-[cyclohexanecarbonyl(propyl)amino]propanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexanecarbonyl(propyl)amino]propanoic acid is sourced from PubChem (CID 82324168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).